HRID683971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID8083

Morpholine

C4H9NO

结构：CCc1nc2nc(Cl)c3cnc4c(cnn4C(C)C)c3n2n1

HCID22758508

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2nc(N3CCOCC3)c3cnc4c(cnn4C(C)C)c3n2n1

HCID22758539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da354e5eca7f449ba5bef455a320b741
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:18]([n:19]1[c:20]2[n:21][cH:22][c:23]([C:24]([OH:25])=[O:26])[c:27]([NH:28][NH2:29])[c:30]2[cH:31][n:32]1)[CH3:33].[CH2:34]([n:35]1[c:36]2[n:37][cH:38][c:39]3[c:40](=[O:41])[nH:42][c:43]4[n:44]([n:45][c:46]([S:47][CH3:48])[n:49]4)[c:50]3[c:51]2[cH:52][n:53]1)[CH3:54].[CH2:55]1[CH2:56][O:57][CH2:58][CH2:59][NH:60]1.[CH3:61][N:62]([CH3:63])[CH2:64][CH2:65][CH2:66][NH2:67].[CH:1]([n:2]1[c:3]2[n:4][cH:5][c:6]([C:7]([OH:8])=[O:9])[c:10]([NH:11][NH2:12])[c:13]2[cH:14][n:15]1)([CH3:16])[CH3:17].[Cl:68][c:69]1[n:70][c:71]2[n:72]([c:73]3[c:74]1[cH:75][n:76][c:77]1[c:78]3[cH:79][n:80][n:81]1[CH:82]([CH3:83])[CH3:84])[n:85][c:86]([CH2:88][CH3:89])[n:87]2>>[CH2:55]1[CH2:56][O:57][CH2:58][CH2:59][N:60]1[c:69]1[n:70][c:71]2[n:72]([c:73]3[c:74]1[cH:75][n:76][c:77]1[c:78]3[cH:79][n:80][n:81]1[CH:82]([CH3:83])[CH3:84])[n:85][c:86]([CH2:88][CH3:89])[n:87]2